D400-6735 Screening compound: 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide

D400-6735 Screening compound: 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide
D400-6735 Screening compound: 3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-6735
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D400-6735

Molecular Formula

C18H23N3O4S (C18 H23 N3 O4 S)

Compound Name

3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide

IUPAC name

3-(5-cyclohexyl-124-oxadiazol-3-yl)-4-methoxy-N-(prop-2-en-1-yl)benzene-1-sulfonamide

SMILES

COc(ccc(S(NCC=C)(=O)=O)c1)c1-c1noc(C2CCCCC2)n1

InChI

InChI=1S/C18H23N3O4S/c1-3-11-19-26(22,23)14-9-10-16(24-2)15(12-14)17-20-18(25-21-17)13-7-5-4-6-8-13/h3,9-10,12-13,19H,1,4-8,11H2,2H3

InChI Key

FJTVLUXRZTZZBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.38

Polar Surface Area

81.338

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D400-6735 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-6735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-6735?
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What is the minimum amount of D400-6735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-6735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-6735
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D400-6735 available by request